2-(2-methylanilino)-2-phenylindene-1,3-dione

C22H17NO2 — CID 827717

IUPAC2-(2-methylanilino)-2-phenylindene-1,3-dione
SMILESCc1ccccc1NC1(c2ccccc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H17NO2/c1-15-9-5-8-14-19(15)23-22(16-10-3-2-4-11-16)20(24)17-12-6-7-13-18(17)21(22)25/h2-14,23H,1H3
InChIKeyPDDYCUFSBCSNRZ-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.38
Rot. Bonds3

About 2-(2-methylanilino)-2-phenylindene-1,3-dione

2-(2-methylanilino)-2-phenylindene-1,3-dione (PubChem CID 827717) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-(2-methylanilino)-2-phenylindene-1,3-dione.

Molecular Properties

Compound Name2-(2-methylanilino)-2-phenylindene-1,3-dione
PubChem CID827717
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name2-(2-methylanilino)-2-phenylindene-1,3-dione
SMILESCc1ccccc1NC1(c2ccccc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H17NO2/c1-15-9-5-8-14-19(15)23-22(16-10-3-2-4-11-16)20(24)17-12-6-7-13-18(17)21(22)25/h2-14,23H,1H3
InChIKeyPDDYCUFSBCSNRZ-UHFFFAOYSA-N
XLogP4.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)-2-phenylindene-1,3-dione?
The IUPAC name of 2-(2-methylanilino)-2-phenylindene-1,3-dione (CID 827717) is 2-(2-methylanilino)-2-phenylindene-1,3-dione.
What is the SMILES notation for 2-(2-methylanilino)-2-phenylindene-1,3-dione?
The canonical SMILES for 2-(2-methylanilino)-2-phenylindene-1,3-dione is Cc1ccccc1NC1(c2ccccc2)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(2-methylanilino)-2-phenylindene-1,3-dione?
The InChIKey is PDDYCUFSBCSNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c1-15-9-5-8-14-19(15)23-22(16-10-3-2-4-11-16)20(24)17-12-6-7-13-18(17)21(22)25/h2-14,23H,1H3.
What are the key properties of 2-(2-methylanilino)-2-phenylindene-1,3-dione?
2-(2-methylanilino)-2-phenylindene-1,3-dione has a molecular weight of 327.38 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)-2-phenylindene-1,3-dione is sourced from PubChem (CID 827717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).